N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide

C12H15N5O2S — CID 131936663

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCc1ccc2nsnc2c1
InChIInChI=1S/C12H15N5O2S/c1-17(2)12(19)14-7-11(18)13-6-8-3-4-9-10(5-8)16-20-15-9/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyMZAYRAJUUFJVSS-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.58
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide (PubChem CID 131936663) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
PubChem CID131936663
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCc1ccc2nsnc2c1
InChIInChI=1S/C12H15N5O2S/c1-17(2)12(19)14-7-11(18)13-6-8-3-4-9-10(5-8)16-20-15-9/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyMZAYRAJUUFJVSS-UHFFFAOYSA-N
XLogP0.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 59379604
trans-(1S,3R)-1-N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-N,3-N,1,2,2-pentamethylcyclopentane-1,3-dicarboxamide
CID 72919949
6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide
CID 131936695
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 74238749
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063
(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3R)-hexan-3-yl]-1-methylurea
CID 125435542
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylurea
CID 122571911

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide (CID 131936663) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide is CN(C)C(=O)NCC(=O)NCc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide?
The InChIKey is MZAYRAJUUFJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17(2)12(19)14-7-11(18)13-6-8-3-4-9-10(5-8)16-20-15-9/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide is sourced from PubChem (CID 131936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).